1-N-benzyl-1-N-(1-cyclopropylethyl)propane-1,2-diamine;hydrochloride

C15H25ClN2 — CID 120980321

IUPAC1-N-benzyl-1-N-(1-cyclopropylethyl)propane-1,2-diamine;hydrochloride
SMILESCC(N)CN(Cc1ccccc1)C(C)C1CC1.Cl
InChIInChI=1S/C15H24N2.ClH/c1-12(16)10-17(13(2)15-8-9-15)11-14-6-4-3-5-7-14;/h3-7,12-13,15H,8-11,16H2,1-2H3;1H
InChIKeyNGUXBBMSQXCHIF-UHFFFAOYSA-N
MW268.83 g/mol
LogP3.06
Rot. Bonds6

About 1-N-benzyl-1-N-(1-cyclopropylethyl)propane-1,2-diamine;hydrochloride

1-N-benzyl-1-N-(1-cyclopropylethyl)propane-1,2-diamine;hydrochloride (PubChem CID 120980321) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 1-N-benzyl-1-N-(1-cyclopropylethyl)propane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name1-N-benzyl-1-N-(1-cyclopropylethyl)propane-1,2-diamine;hydrochloride
PubChem CID120980321
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name1-N-benzyl-1-N-(1-cyclopropylethyl)propane-1,2-diamine;hydrochloride
SMILESCC(N)CN(Cc1ccccc1)C(C)C1CC1.Cl
InChIInChI=1S/C15H24N2.ClH/c1-12(16)10-17(13(2)15-8-9-15)11-14-6-4-3-5-7-14;/h3-7,12-13,15H,8-11,16H2,1-2H3;1H
InChIKeyNGUXBBMSQXCHIF-UHFFFAOYSA-N
XLogP3.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-benzyl-1-N-(1-cyclopropylethyl)propane-1,2-diamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-benzyl-1-cyclopropyl-N'-propan-2-ylethane-1,2-diamine
CID 130758158
2-[(2S)-3-[benzyl-[(1R)-1-cyclopropylethyl]amino]-2-hydroxypropyl]isoindole-1,3-dione
CID 51932616
3-[benzyl(1-cyclopropylethyl)amino]-N-carbamoylpropanamide
CID 74655069
N,N-dibenzyl-1-cyclopropylethane-1,2-diamine
CID 43655032
3-amino-N-benzyl-N-(1-cyclopropylethyl)propanamide;hydrochloride
CID 119265819
N-benzyl-1-cyclopropyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)ethanamine
CID 86901950
N,N-dibenzyl-1-cyclopentylethanamine;ethyl formate
CID 174915611
2-[benzyl(1-cyclopropylethyl)amino]-N-(phenylcarbamoyl)acetamide
CID 55444967
4-amino-N-benzyl-N-(1-cyclopropylethyl)butanamide;hydrochloride
CID 119265829
3-amino-N-benzyl-N-(1-cyclopropylethyl)-3-phenylpropanamide
CID 119948804
(1S)-N,N-dibenzyl-1-[(2R)-oxiran-2-yl]ethanamine
CID 11173187
2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119679047

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-1-N-(1-cyclopropylethyl)propane-1,2-diamine;hydrochloride?
The IUPAC name of 1-N-benzyl-1-N-(1-cyclopropylethyl)propane-1,2-diamine;hydrochloride (CID 120980321) is 1-N-benzyl-1-N-(1-cyclopropylethyl)propane-1,2-diamine;hydrochloride.
What is the SMILES notation for 1-N-benzyl-1-N-(1-cyclopropylethyl)propane-1,2-diamine;hydrochloride?
The canonical SMILES for 1-N-benzyl-1-N-(1-cyclopropylethyl)propane-1,2-diamine;hydrochloride is CC(N)CN(Cc1ccccc1)C(C)C1CC1.Cl.
What is the InChIKey of 1-N-benzyl-1-N-(1-cyclopropylethyl)propane-1,2-diamine;hydrochloride?
The InChIKey is NGUXBBMSQXCHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2.ClH/c1-12(16)10-17(13(2)15-8-9-15)11-14-6-4-3-5-7-14;/h3-7,12-13,15H,8-11,16H2,1-2H3;1H.
What are the key properties of 1-N-benzyl-1-N-(1-cyclopropylethyl)propane-1,2-diamine;hydrochloride?
1-N-benzyl-1-N-(1-cyclopropylethyl)propane-1,2-diamine;hydrochloride has a molecular weight of 268.83 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-1-N-(1-cyclopropylethyl)propane-1,2-diamine;hydrochloride is sourced from PubChem (CID 120980321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).